ChemSpider 2D Image | 2-Methyl-2-(methylsulfonyl)-1-(2,3,4-trimethoxyphenyl)-1-propanol | C14H22O6S

2-Methyl-2-(methylsulfonyl)-1-(2,3,4-trimethoxyphenyl)-1-propanol

  • Molecular FormulaC14H22O6S
  • Average mass318.386 Da
  • Monoisotopic mass318.113708 Da
  • ChemSpider ID44647876

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Methyl-2-(methylsulfonyl)-1-(2,3,4-trimethoxyphenyl)-1-propanol [German] [ACD/IUPAC Name]
2-Methyl-2-(methylsulfonyl)-1-(2,3,4-trimethoxyphenyl)-1-propanol [ACD/IUPAC Name]
2-Méthyl-2-(méthylsulfonyl)-1-(2,3,4-triméthoxyphényl)-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 2,3,4-trimethoxy-α-[1-methyl-1-(methylsulfonyl)ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 512.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 64.02
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.34
ACD/KOC (pH 7.4): 64.02
Polar Surface Area: 90 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 263.1±3.0 cm3

Click to predict properties on the Chemicalize site


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